AI-Driven-Drug-Discovery-for-EGFR-TKI-Resistance-in-NSCLC-Using-Dual-SMILES-Models
Plasma cell-free DNA hydroxymethylomes discriminate disease state in EGFR-mutant non-small cell lung cancer.
Computational docking project of EGFR wildtype and clinically relevant mutants (L858R, T790M, Exon20ins) with first-, second-, and third-generation TKIs. Includes automated data fetching, preprocessing, docking with AutoDock Vina, and statistical analysis of binding affinities.
3rd generation egfr ligand core and fragment exchange generator to target resistant mutations
ligand protein binding through docking for mutant specific biomarkers in egfr inhibiotrs in lung cancer
GraphEGFR source codes and datasets
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